Geometry & MOs

Info

ID:	193225
PubChem CID:	78359050
Reduced:	SN3O4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	511.214092
ΔH_f, kcal/mol:	-71.66
Dipole, Da:	6.09
IP(EA), eV:	-9.26(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxy-4-pentoxyphenyl)-7-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CC1CCC2C(C1)C(=O)C3=C(O2)C(=O)N(C3C4=CC=C(C=C4)O)C5=NN=C(S5)C

DOS

IR

Vibrations